(Q105134253)

English

(1S,3R,8R,11S,12S,15R,16R)-15-[(3S,4S,5S)-2,4-dihydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

group of stereoisomers with the chemical formula C₃₀H₄₆O₄

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Statements

instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

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inferred from

cycloartane triterpenoid

mass

470.33960995199993 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C6C(O)OC(C=C(C)C)C6O

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isomeric SMILES

CC(C)=C[C@@H]1OC(O)[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)[C@@H]1O

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Identifiers

InChI

InChI=1S/C30H46O4/c1-17(2)15-19-24(32)23(25(33)34-19)18-9-11-28(6)21-8-7-20-26(3,4)22(31)10-12-29(20)16-30(21,29)14-13-27(18,28)5/h15,18-21,23-25,32-33H,7-14,16H2,1-6H3/t18-,19+,20+,21+,23+,24-,25?,27-,28+,29-,30+/m1/s1

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InChIKey

JSBYUFYDGNUXMX-UOWFZADWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JSBYUFYDGNUXMX-UOWFZADWSA-N

1 reference

(Q105134253)

(1S,3R,8R,11S,12S,15R,16R)-15-[(3S,4S,5S)-2,4-dihydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

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